(3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol

C13H23N3O4 — CID 70777775

IUPAC(3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2nc(CCOC)no2)C[C@H]1O
InChIInChI=1S/C13H23N3O4/c1-3-13(18)5-6-16(8-10(13)17)9-12-14-11(15-20-12)4-7-19-2/h10,17-18H,3-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyMWIFXHIUBVELCS-ZWNOBZJWSA-N
MW285.34 g/mol
LogP-0.03
Rot. Bonds6

About (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol

(3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol (PubChem CID 70777775) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol
PubChem CID70777775
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2nc(CCOC)no2)C[C@H]1O
InChIInChI=1S/C13H23N3O4/c1-3-13(18)5-6-16(8-10(13)17)9-12-14-11(15-20-12)4-7-19-2/h10,17-18H,3-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyMWIFXHIUBVELCS-ZWNOBZJWSA-N
XLogP-0.03
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol (CID 70777775) is (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol is CC[C@@]1(O)CCN(Cc2nc(CCOC)no2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol?
The InChIKey is MWIFXHIUBVELCS-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-13(18)5-6-16(8-10(13)17)9-12-14-11(15-20-12)4-7-19-2/h10,17-18H,3-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol?
(3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol has a molecular weight of 285.34 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 70777775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).